OPERA Models: Henry's Law

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Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, 1,1-dioxide
145787-27-5 | DTXSID90163158

Model Results

Predicted value: 1.16e-08 atm-m3/mole

Global applicability domain:  Outside

Local applicability domain index: 0.21

Confidence level: 0.33

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 Q2 R2 R2 R2 R2
0.84 0.89 0.84 0.88 0.85 0.75

Nearest Neighbors from the Training Set

Isoxaflutole

Measured: 1.85e-10

Predicted: 2.76e-10

Diflufenican

Measured: 3.25e-07

Predicted: 1.91e-07

4-Nonylphenyl diphenyl phosphate

Measured: 1.40e-08

Predicted: 2.42e-08

Fluquinconazole

Measured: 2.06e-11

Predicted: 4.03e-11

2-Ethylhexyl diphenyl phosphate

Measured: 5.42e-05

Predicted: 3.44e-05